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Metals 2018, 8(9), 705;

First-Principles Approaches to Metals, Alloys, and Metallic Compounds

Chair of Solid State and Quantum Chemistry, Institute of Inorganic Chemistry, RWTH Aachen University, D-52056 Aachen, Germany
Received: 4 September 2018 / Accepted: 6 September 2018 / Published: 7 September 2018
(This article belongs to the Special Issue First-Principles Approaches to Metals, Alloys, and Metallic Compounds)
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At the beginning of the 21st century, electronic-structure theory has matured to a degree that allows for accurate phase prediction and computational characterization of various kinds of materials; in particular, elemental metals adopting whatever allotropic structure, various intermetallic compounds, and other complex metal-rich phases. [...] View Full-Text
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Dronskowski, R. First-Principles Approaches to Metals, Alloys, and Metallic Compounds. Metals 2018, 8, 705.

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